sodium;prop-2-enenitrile;cyanide

C4H3N2Na — CID 160859607

IUPACsodium;prop-2-enenitrile;cyanide
SMILESC=CC#N.[C-]#N.[Na+]
InChIInChI=1S/C3H3N.CN.Na/c1-2-3-4;1-2;/h2H,1H2;;/q;-1;+1
InChIKeySKHQFDNULKIGEC-UHFFFAOYSA-N
MW102.07 g/mol
LogP-2.20
Rot. Bonds

About sodium;prop-2-enenitrile;cyanide

sodium;prop-2-enenitrile;cyanide (PubChem CID 160859607) has the molecular formula C4H3N2Na and a molecular weight of 102.07 g/mol. Its IUPAC name is sodium;prop-2-enenitrile;cyanide.

Molecular Properties

Compound Namesodium;prop-2-enenitrile;cyanide
PubChem CID160859607
Molecular FormulaC4H3N2Na
Molecular Weight102.07 g/mol
Exact Mass102.02
IUPAC Namesodium;prop-2-enenitrile;cyanide
SMILESC=CC#N.[C-]#N.[Na+]
InChIInChI=1S/C3H3N.CN.Na/c1-2-3-4;1-2;/h2H,1H2;;/q;-1;+1
InChIKeySKHQFDNULKIGEC-UHFFFAOYSA-N
XLogP-2.20
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.07
LogP ≤ 5-2.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze sodium;prop-2-enenitrile;cyanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-2-enenitrile;dihydrate
CID 175150408
CID 159057552
CID 159057552
CID 163776931
CID 163776931
platinum;prop-2-enenitrile
CID 159226691
prop-2-enenitrile;selane
CID 175541526
carbon monoxide;bis(prop-2-enenitrile);tungsten
CID 134899253
sodium;hydride;prop-2-enenitrile;thiocyanic acid
CID 174758576
methanol;prop-2-enenitrile
CID 19700097
propane-1,3-diol;prop-2-enenitrile
CID 174190205
prop-2-enenitrile;prop-1-yne
CID 141109996
prop-2-enenitrile;1,1,2,2-tetrafluoroethene
CID 174809143
propane-1,3-diamine;prop-2-enenitrile
CID 88784773

Frequently Asked Questions

What is the IUPAC name of sodium;prop-2-enenitrile;cyanide?
The IUPAC name of sodium;prop-2-enenitrile;cyanide (CID 160859607) is sodium;prop-2-enenitrile;cyanide.
What is the SMILES notation for sodium;prop-2-enenitrile;cyanide?
The canonical SMILES for sodium;prop-2-enenitrile;cyanide is C=CC#N.[C-]#N.[Na+].
What is the InChIKey of sodium;prop-2-enenitrile;cyanide?
The InChIKey is SKHQFDNULKIGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N.CN.Na/c1-2-3-4;1-2;/h2H,1H2;;/q;-1;+1.
What are the key properties of sodium;prop-2-enenitrile;cyanide?
sodium;prop-2-enenitrile;cyanide has a molecular weight of 102.07 g/mol, XLogP of -2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;prop-2-enenitrile;cyanide is sourced from PubChem (CID 160859607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).